N-[[6-amino-5-[3-[2-(3-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide

C22H25FN6O2 — CID 57148022

IUPACN-[[6-amino-5-[3-[2-(3-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide
SMILESC=C1C(CNC=O)=C(n2c(C)cnc(NCCc3cccc(F)c3)c2=O)C(N)=NC1C
InChIInChI=1S/C22H25FN6O2/c1-13-10-27-21(26-8-7-16-5-4-6-17(23)9-16)22(31)29(13)19-18(11-25-12-30)14(2)15(3)28-20(19)24/h4-6,9-10,12,15H,2,7-8,11H2,1,3H3,(H2,24,28)(H,25,30)(H,26,27)
InChIKeyYFPZPIXBIIPAAU-UHFFFAOYSA-N
MW424.48 g/mol
LogP1.62
Rot. Bonds8

About N-[[6-amino-5-[3-[2-(3-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide

N-[[6-amino-5-[3-[2-(3-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide (PubChem CID 57148022) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[[6-amino-5-[3-[2-(3-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[6-amino-5-[3-[2-(3-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide
PubChem CID57148022
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC NameN-[[6-amino-5-[3-[2-(3-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide
SMILESC=C1C(CNC=O)=C(n2c(C)cnc(NCCc3cccc(F)c3)c2=O)C(N)=NC1C
InChIInChI=1S/C22H25FN6O2/c1-13-10-27-21(26-8-7-16-5-4-6-17(23)9-16)22(31)29(13)19-18(11-25-12-30)14(2)15(3)28-20(19)24/h4-6,9-10,12,15H,2,7-8,11H2,1,3H3,(H2,24,28)(H,25,30)(H,26,27)
InChIKeyYFPZPIXBIIPAAU-UHFFFAOYSA-N
XLogP1.62
TPSA114.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[6-amino-5-[3-[2-(3-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide?
The IUPAC name of N-[[6-amino-5-[3-[2-(3-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide (CID 57148022) is N-[[6-amino-5-[3-[2-(3-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide.
What is the SMILES notation for N-[[6-amino-5-[3-[2-(3-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide?
The canonical SMILES for N-[[6-amino-5-[3-[2-(3-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide is C=C1C(CNC=O)=C(n2c(C)cnc(NCCc3cccc(F)c3)c2=O)C(N)=NC1C.
What is the InChIKey of N-[[6-amino-5-[3-[2-(3-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide?
The InChIKey is YFPZPIXBIIPAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-13-10-27-21(26-8-7-16-5-4-6-17(23)9-16)22(31)29(13)19-18(11-25-12-30)14(2)15(3)28-20(19)24/h4-6,9-10,12,15H,2,7-8,11H2,1,3H3,(H2,24,28)(H,25,30)(H,26,27).
What are the key properties of N-[[6-amino-5-[3-[2-(3-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide?
N-[[6-amino-5-[3-[2-(3-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide has a molecular weight of 424.48 g/mol, XLogP of 1.62, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-amino-5-[3-[2-(3-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide is sourced from PubChem (CID 57148022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).